Information card for entry 7226154

Structure parameters

• Formula: C4 H4 Cu K2 O10
• Calculated formula: C4 H4 Cu K2 O10
• Title of publication: Step by step crystal-to-crystal transformation from 1D K2Cu(C2O4)2(H2O)4(1) to 1D K2Cu(C2O4)2(H2O)2(2) and then 1D K2Cu(C2O4)2(3) by dehydration
• Authors of publication: Zhang, B.; Zhang, Y.; Zhang, J.; Yan, X.; Zhu, D.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 27
• Pages of publication: 5062
• a: 6.904 ± 0.002 Å
• b: 8.66 ± 0.003 Å
• c: 8.929 ± 0.003 Å
• α: 107.95 ± 0.004°
• β: 99.637 ± 0.004°
• γ: 97.637 ± 0.004°
• Cell volume: 490.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.029
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0774
• Weighted residual factors for all reflections included in the refinement: 0.0781
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No